2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid Openeye Name: 3-(5-benzyloxy-1H-indol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid Traditional Name: 3-(5-benzoxy-1H-indol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propionic acid Formula: C28H26N2O6S MolecularWeight: 518.58084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H26N2O6S/c1-2-3-15-35-22-9-12-24(13-10-22)37(33,34)30-27(28(31)32)16-21-18-29-26-14-11-23(17-25(21)26)36-19-20-7-5-4-6-8-20/h4-14,17-18,27,29-30H,15-16,19H2,1H3,(H,31,32)